4-(2-hydroxy-4-nitrophenoxy)benzene-1,2-diol

C12H9NO6 — CID 147971666

IUPAC4-(2-hydroxy-4-nitrophenoxy)benzene-1,2-diol
SMILESO=[N+]([O-])c1ccc(Oc2ccc(O)c(O)c2)c(O)c1
InChIInChI=1S/C12H9NO6/c14-9-3-2-8(6-10(9)15)19-12-4-1-7(13(17)18)5-11(12)16/h1-6,14-16H
InChIKeyIRLQPHDPKNGYHL-UHFFFAOYSA-N
MW263.20 g/mol
LogP2.50
Rot. Bonds3

About 4-(2-hydroxy-4-nitrophenoxy)benzene-1,2-diol

4-(2-hydroxy-4-nitrophenoxy)benzene-1,2-diol (PubChem CID 147971666) has the molecular formula C12H9NO6 and a molecular weight of 263.20 g/mol. Its IUPAC name is 4-(2-hydroxy-4-nitrophenoxy)benzene-1,2-diol.

Molecular Properties

Compound Name4-(2-hydroxy-4-nitrophenoxy)benzene-1,2-diol
PubChem CID147971666
Molecular FormulaC12H9NO6
Molecular Weight263.20 g/mol
Exact Mass263.04
IUPAC Name4-(2-hydroxy-4-nitrophenoxy)benzene-1,2-diol
SMILESO=[N+]([O-])c1ccc(Oc2ccc(O)c(O)c2)c(O)c1
InChIInChI=1S/C12H9NO6/c14-9-3-2-8(6-10(9)15)19-12-4-1-7(13(17)18)5-11(12)16/h1-6,14-16H
InChIKeyIRLQPHDPKNGYHL-UHFFFAOYSA-N
XLogP2.50
TPSA113.06 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.20
LogP ≤ 52.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(4-chlorophenoxy)-5-nitrophenol
CID 150663089
sodium;hydride;2-methoxy-5-nitrophenol
CID 173002361
2-butoxy-5-nitrophenol
CID 141158099
4-[4-nitro-2-(trifluoromethyl)phenoxy]phenol
CID 13208372
cyclohexene;4-nitrobenzene-1,2-diol
CID 174564201
2-(1-hydroxyethoxy)-5-nitrophenol
CID 67929742
[1-[2-fluoro-4-(2-hydroxy-4-nitrophenoxy)phenyl]-2-methylpropan-2-yl] carbamate
CID 68966884
ethane;2-(2-hydroxy-5-nitrophenyl)-4-nitrophenol
CID 174888100
4-[4-(4-hydroxy-2-nitrophenoxy)-3-nitrophenoxy]-3-nitrophenol
CID 91275856
1-[5-hydroxy-2-(4-nitrophenoxy)phenyl]ethanone
CID 24763777
3-methyl-5-(2-methyl-4-nitrophenoxy)phenol
CID 107680644
4-(5-nitro-2-phenylphenoxy)phenol
CID 70376187

Frequently Asked Questions

What is the IUPAC name of 4-(2-hydroxy-4-nitrophenoxy)benzene-1,2-diol?
The IUPAC name of 4-(2-hydroxy-4-nitrophenoxy)benzene-1,2-diol (CID 147971666) is 4-(2-hydroxy-4-nitrophenoxy)benzene-1,2-diol.
What is the SMILES notation for 4-(2-hydroxy-4-nitrophenoxy)benzene-1,2-diol?
The canonical SMILES for 4-(2-hydroxy-4-nitrophenoxy)benzene-1,2-diol is O=[N+]([O-])c1ccc(Oc2ccc(O)c(O)c2)c(O)c1.
What is the InChIKey of 4-(2-hydroxy-4-nitrophenoxy)benzene-1,2-diol?
The InChIKey is IRLQPHDPKNGYHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9NO6/c14-9-3-2-8(6-10(9)15)19-12-4-1-7(13(17)18)5-11(12)16/h1-6,14-16H.
What are the key properties of 4-(2-hydroxy-4-nitrophenoxy)benzene-1,2-diol?
4-(2-hydroxy-4-nitrophenoxy)benzene-1,2-diol has a molecular weight of 263.20 g/mol, XLogP of 2.50, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydroxy-4-nitrophenoxy)benzene-1,2-diol is sourced from PubChem (CID 147971666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).